4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine

C25H24N4O — CID 45167284

IUPAC4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
SMILESc1ccc(-c2cnc(-c3ccncc3)nc2C2CCCN(Cc3ccoc3)C2)cc1
InChIInChI=1S/C25H24N4O/c1-2-5-20(6-3-1)23-15-27-25(21-8-11-26-12-9-21)28-24(23)22-7-4-13-29(17-22)16-19-10-14-30-18-19/h1-3,5-6,8-12,14-15,18,22H,4,7,13,16-17H2
InChIKeyDRAJYWBASQCLFI-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.18
Rot. Bonds5

About 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine

4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine (PubChem CID 45167284) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
PubChem CID45167284
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
SMILESc1ccc(-c2cnc(-c3ccncc3)nc2C2CCCN(Cc3ccoc3)C2)cc1
InChIInChI=1S/C25H24N4O/c1-2-5-20(6-3-1)23-15-27-25(21-8-11-26-12-9-21)28-24(23)22-7-4-13-29(17-22)16-19-10-14-30-18-19/h1-3,5-6,8-12,14-15,18,22H,4,7,13,16-17H2
InChIKeyDRAJYWBASQCLFI-UHFFFAOYSA-N
XLogP5.18
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
CID 29151200
2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 110213955
4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
CID 45208935
4-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine
CID 26344939
4-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine
CID 45184772
[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(2,3,6-trifluorophenyl)methanone
CID 26343730
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 42430527
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 45207664
1-[(3S)-3-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 51583946
4-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine
CID 45210901
4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806446
5-methoxy-2-[[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol
CID 45209028

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine (CID 45167284) is 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine is c1ccc(-c2cnc(-c3ccncc3)nc2C2CCCN(Cc3ccoc3)C2)cc1.
What is the InChIKey of 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine?
The InChIKey is DRAJYWBASQCLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-2-5-20(6-3-1)23-15-27-25(21-8-11-26-12-9-21)28-24(23)22-7-4-13-29(17-22)16-19-10-14-30-18-19/h1-3,5-6,8-12,14-15,18,22H,4,7,13,16-17H2.
What are the key properties of 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine?
4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine has a molecular weight of 396.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 45167284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).